but-2-enedihydrazide

C4H8N4O2 — CID 19058

IUPACbut-2-enedihydrazide
SMILESNNC(=O)C=CC(=O)NN
InChIInChI=1S/C4H8N4O2/c5-7-3(9)1-2-4(10)8-6/h1-2H,5-6H2,(H,7,9)(H,8,10)
InChIKeySNVRDQORMVVQBI-UHFFFAOYSA-N
MW144.13 g/mol
LogP-2.48
Rot. Bonds2

About but-2-enedihydrazide

but-2-enedihydrazide (PubChem CID 19058) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is but-2-enedihydrazide.

Molecular Properties

Compound Namebut-2-enedihydrazide
PubChem CID19058
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Namebut-2-enedihydrazide
SMILESNNC(=O)C=CC(=O)NN
InChIInChI=1S/C4H8N4O2/c5-7-3(9)1-2-4(10)8-6/h1-2H,5-6H2,(H,7,9)(H,8,10)
InChIKeySNVRDQORMVVQBI-UHFFFAOYSA-N
XLogP-2.48
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-enedihydrazide?
The IUPAC name of but-2-enedihydrazide (CID 19058) is but-2-enedihydrazide.
What is the SMILES notation for but-2-enedihydrazide?
The canonical SMILES for but-2-enedihydrazide is NNC(=O)C=CC(=O)NN.
What is the InChIKey of but-2-enedihydrazide?
The InChIKey is SNVRDQORMVVQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c5-7-3(9)1-2-4(10)8-6/h1-2H,5-6H2,(H,7,9)(H,8,10).
What are the key properties of but-2-enedihydrazide?
but-2-enedihydrazide has a molecular weight of 144.13 g/mol, XLogP of -2.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedihydrazide is sourced from PubChem (CID 19058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).